>compound Histamine_Histamine
#instrument UPLC Q-Tof Premier, Waters
>formula C5H9N3
#smiles NCCc(c1)ncn1
#RECORD LC-ESI-QTOF_train_data/PR100071.txt
>charge 1
>ionization [M+H]+
>parentmass 112.08744

>collision 5-60
95.0597 12.64
112.0269 10.53
112.0874 296.3

